L-2-Aminohexano-6-lactam

C₆H₁₂N₂OCAS 21568-87-6128.17 g/mol

Open in Covalent MOL file

Amide Lactam Primary amine

Properties

Molecular formula: C₆H₁₂N₂O
Molar mass: 128.17 g/mol
Exact mass: 128.0950 Da
logP: -0.39Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21568-87-6

SMILES

C1CCNC(=O)[C@H](C1)N

InChIKey

BOWUOGIPSRVRSJ-YFKPBYRVSA-N

InChI

InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(S)-3-Amino-hexahydro-2-azepinone

Work with L-2-Aminohexano-6-lactam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Alpha-amino-epsilon-caprolactam28957-33-7Enantiomer 3-Aminoazepan-2-one671-42-1Stereo not defined 3-Aminoazepan-2-one17929-90-7Stereo not defined

Similar compounds

(3S)-3-Aminopiperidin-2-one34294-79-688 % similar Homocitrulline1190-49-451 % similar Homoarginine156-86-547 % similar ε-Poly-L-lysine28211-04-346 % similar Citrulline372-75-844 % similar Citrulline627-77-044 % similar L-Homoarginine hydrochloride1483-01-844 % similar H-D-Cit-oh13594-51-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5S)-1,5-Dimethylpiperazin-2-one1068149-94-9 (S)-(-)-3-Acetamidopyrrolidine114636-31-6 (3R)-(+)-3-Acetamidopyrrolidine131900-62-4 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 Pipecolamide19889-77-1 3,3-Dimethyl-2-piperazinone22476-74-0

Elsewhere

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